3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine

C13H17Cl2N5O — CID 106424413

IUPAC3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCc2nc(C)no2)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N5O/c1-3-5-16-12-9(14)7-10(15)13(19-12)17-6-4-11-18-8(2)20-21-11/h7H,3-6H2,1-2H3,(H2,16,17,19)
InChIKeyPLKUJZXHHREDAB-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.56
Rot. Bonds7

About 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 106424413) has the molecular formula C13H17Cl2N5O and a molecular weight of 330.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine
PubChem CID106424413
Molecular FormulaC13H17Cl2N5O
Molecular Weight330.22 g/mol
Exact Mass329.08
IUPAC Name3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCc2nc(C)no2)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N5O/c1-3-5-16-12-9(14)7-10(15)13(19-12)17-6-4-11-18-8(2)20-21-11/h7H,3-6H2,1-2H3,(H2,16,17,19)
InChIKeyPLKUJZXHHREDAB-UHFFFAOYSA-N
XLogP3.56
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106424765
2-N-ethyl-3,5-difluoro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 106424365
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 106424446
6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106421609
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092
6-N-ethyl-5-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106424403
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
3,5-dichloro-6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378906
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-nitroaniline
CID 104917386
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine (CID 106424413) is 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCCc2nc(C)no2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is PLKUJZXHHREDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N5O/c1-3-5-16-12-9(14)7-10(15)13(19-12)17-6-4-11-18-8(2)20-21-11/h7H,3-6H2,1-2H3,(H2,16,17,19).
What are the key properties of 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 330.22 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 106424413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).